4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C30H33N3O4 — CID 19242855

About 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 19242855) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
• PubChem CID: 19242855
• Molecular Formula: C30H33N3O4
• Molecular Weight: 499.61 g/mol
• Exact Mass: 499.25
• IUPAC Name: 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
• SMILES: COc1ccc(CN2CC(c3nc4ccccc4n3CCCCOc3ccc(OC)cc3)CC2=O)cc1
• InChI: InChI=1S/C30H33N3O4/c1-35-24-11-9-22(10-12-24)20-32-21-23(19-29(32)34)30-31-27-7-3-4-8-28(27)33(30)17-5-6-18-37-26-15-13-25(36-2)14-16-26/h3-4,7-16,23H,5-6,17-21H2,1-2H3
• InChIKey: CUGWEJHINPXQQL-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 65.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?

The IUPAC name of 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 19242855) is 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

What is the SMILES notation for 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?

The canonical SMILES for 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(CN2CC(c3nc4ccccc4n3CCCCOc3ccc(OC)cc3)CC2=O)cc1.

What is the InChIKey of 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?

The InChIKey is CUGWEJHINPXQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-35-24-11-9-22(10-12-24)20-32-21-23(19-29(32)34)30-31-27-7-3-4-8-28(27)33(30)17-5-6-18-37-26-15-13-25(36-2)14-16-26/h3-4,7-16,23H,5-6,17-21H2,1-2H3.

What are the key properties of 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?

4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 499.61 g/mol, XLogP of 5.43, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 19242855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).